trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide

C10H17NO2 — CID 131113536

IUPACtrans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N[C@H]1CCCOC1
InChIInChI=1S/C10H17NO2/c1-7-5-9(7)10(12)11-8-3-2-4-13-6-8/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-,9-/m0/s1
InChIKeyIWHPHTNRMNPTOP-CIUDSAMLSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds2

About trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide (PubChem CID 131113536) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
PubChem CID131113536
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametrans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N[C@H]1CCCOC1
InChIInChI=1S/C10H17NO2/c1-7-5-9(7)10(12)11-8-3-2-4-13-6-8/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-,9-/m0/s1
InChIKeyIWHPHTNRMNPTOP-CIUDSAMLSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(oxan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 63363591
N-(oxan-3-yl)acetamide
CID 55285282
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
2-methyl-N-(oxetan-3-yl)cyclopentane-1-carboxamide
CID 107180280
N-(3-cyclopropylcyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 71929788
N-(3-aminocyclohexyl)-2-methylcyclopropane-1-carboxamide
CID 130816162
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952
(2S)-N-(oxan-3-yl)piperidine-2-carboxamide
CID 103810399
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084
2-methyl-N-[(1S,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]cyclopropane-1-carboxamide
CID 130688581

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide (CID 131113536) is trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCOC1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is IWHPHTNRMNPTOP-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-9(7)10(12)11-8-3-2-4-13-6-8/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 131113536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).